1-butan-2-ylsulfanyl-4-chloranyl-2-(2-phenylethynyl)benzene

Systemtic Name: 1-butan-2-ylsulfanyl-4-chloranyl-2-(2-phenylethynyl)benzene Openeye Name: 4-chloro-2-(2-phenylethynyl)-1-sec-butylsulfanyl-benzene CAS Name: 1-(butan-2-ylthio)-4-chloro-2-(2-phenylethynyl)benzene IUPAC Name: 1-butan-2-ylsulfanyl-4-chloro-2-(2-phenylethynyl)benzene Traditional Name: 4-chloro-2-(2-phenylethynyl)-1-(sec-butylthio)benzene Formula: C18H17ClS MolecularWeight: 300.84558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)Cl)C#CC2=CC=CC=C2

Isomeric SMILES

CCC(C)SC1=C(C=C(C=C1)Cl)C#CC2=CC=CC=C2

InChI

InChI=1S/C18H17ClS/c1-3-14(2)20-18-12-11-17(19)13-16(18)10-9-15-7-5-4-6-8-15/h4-8,11-14H,3H2,1-2H3